1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone

C141H141Cl5F15N35O5 — CID 158295811

About 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone

1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone (PubChem CID 158295811) has the molecular formula C141H141Cl5F15N35O5 and a molecular weight of 2868.15 g/mol. Its IUPAC name is 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone
• PubChem CID: 158295811
• Molecular Formula: C141H141Cl5F15N35O5
• Molecular Weight: 2868.15 g/mol
• Exact Mass: 2864.01
• IUPAC Name: 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone
• SMILES: CCN1CCN(c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cncnc5)nn4)c3)cc(C(F)(F)F)c2Cl)CC1.CCN1CCN(c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2Cl)CC1.Cc1ccc(CC(=O)c2cc(N3CCCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.Cc1ccc(CC(=O)c2cc(N3CCCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(CC(=O)c2cc(N3CCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1
• InChI: InChI=1S/2C29H31ClF3N7O.2C28H27ClF3N7O.C27H25ClF3N7O/c1-18-6-7-20(12-25(18)40-17-24(35-36-40)22-16-34-38(4)19(22)2)13-27(41)21-14-23(29(31,32)33)28(30)26(15-21)39-9-5-8-37(3)10-11-39;1-5-38-8-10-39(11-9-38)26-15-21(14-23(28(26)30)29(31,32)33)27(41)13-20-7-6-18(2)25(12-20)40-17-24(35-36-40)22-16-34-37(4)19(22)3;1-18-4-5-19(10-24(18)39-16-23(35-36-39)21-14-33-17-34-15-21)11-26(40)20-12-22(28(30,31)32)27(29)25(13-20)38-7-3-6-37(2)8-9-38;1-3-37-6-8-38(9-7-37)25-13-20(12-22(27(25)29)28(30,31)32)26(40)11-19-5-4-18(2)24(10-19)39-16-23(35-36-39)21-14-33-17-34-15-21;1-17-3-4-18(9-23(17)38-15-22(34-35-38)20-13-32-16-33-14-20)10-25(39)19-11-21(27(29,30)31)26(28)24(12-19)37-7-5-36(2)6-8-37/h2*6-7,12,14-17H,5,8-11,13H2,1-4H3;2*4-5,10,12-17H,3,6-9,11H2,1-2H3;3-4,9,11-16H,5-8,10H2,1-2H3
• InChIKey: GLWWQHCMPHKKQN-UHFFFAOYSA-N
• XLogP: 26.47
• TPSA: 384.28 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 32
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2868.15
LogP ≤ 5	26.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone?

The IUPAC name of 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone (CID 158295811) is 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone.

What is the SMILES notation for 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone?

The canonical SMILES for 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone is CCN1CCN(c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cncnc5)nn4)c3)cc(C(F)(F)F)c2Cl)CC1.CCN1CCN(c2cc(C(=O)Cc3ccc(C)c(-n4cc(-c5cnn(C)c5C)nn4)c3)cc(C(F)(F)F)c2Cl)CC1.Cc1ccc(CC(=O)c2cc(N3CCCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.Cc1ccc(CC(=O)c2cc(N3CCCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(CC(=O)c2cc(N3CCN(C)CC3)c(Cl)c(C(F)(F)F)c2)cc1-n1cc(-c2cncnc2)nn1.

What is the InChIKey of 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone?

The InChIKey is GLWWQHCMPHKKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H31ClF3N7O.2C28H27ClF3N7O.C27H25ClF3N7O/c1-18-6-7-20(12-25(18)40-17-24(35-36-40)22-16-34-38(4)19(22)2)13-27(41)21-14-23(29(31,32)33)28(30)26(15-21)39-9-5-8-37(3)10-11-39;1-5-38-8-10-39(11-9-38)26-15-21(14-23(28(26)30)29(31,32)33)27(41)13-20-7-6-18(2)25(12-20)40-17-24(35-36-40)22-16-34-37(4)19(22)3;1-18-4-5-19(10-24(18)39-16-23(35-36-39)21-14-33-17-34-15-21)11-26(40)20-12-22(28(30,31)32)27(29)25(13-20)38-7-3-6-37(2)8-9-38;1-3-37-6-8-38(9-7-37)25-13-20(12-22(27(25)29)28(30,31)32)26(40)11-19-5-4-18(2)24(10-19)39-16-23(35-36-39)21-14-33-17-34-15-21;1-17-3-4-18(9-23(17)38-15-22(34-35-38)20-13-32-16-33-14-20)10-25(39)19-11-21(27(29,30)31)26(28)24(12-19)37-7-5-36(2)6-8-37/h2*6-7,12,14-17H,5,8-11,13H2,1-4H3;2*4-5,10,12-17H,3,6-9,11H2,1-2H3;3-4,9,11-16H,5-8,10H2,1-2H3.

What are the key properties of 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone?

1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone has a molecular weight of 2868.15 g/mol, XLogP of 26.47, 32 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylphenyl]ethanone;1-[4-chloro-3-(4-methyl-1,4-diazepan-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone;1-[4-chloro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-2-[4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 158295811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).